N-cyclopropyldesoxyvincaminamide (C23H29N3O)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)C(=O)NC6CC6

InChI

InChI=1S/C23H29N3O/c1-2-23-11-5-12-25-13-10-17-16-6-3-4-7-18(16)26(20(17)21(23)25)19(14-23)22(27)24-15-8-9-15/h3-4,6-7,15,19,21H,2,5,8-14H2,1H3,(H,24,27)/t19-,21-,23+/m1/s1

InChIKey

GEDFWVDKXAESRN-LSWJPFSZSA-N

Compound name

(15S,17R,19S)-N-cyclopropyl-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	364.238326	189.1
[M+Na]+	386.220268	195.6
[M-H]-	362.223774	193.4
[M+NH4]+	381.264873	201.3
[M+K]+	402.194208	188.2
[M+H-H2O]+	346.228310	179.2
[M+HCOO]-	408.229251	198.5
[M+CH3COO]-	422.244901	196.3
[M+Na-2H]-	384.205716	191.3
[M]+	363.23050142	188.7
[M]-	363.23159858	188.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.238326

189.1

[M+Na]+

386.220268

195.6

[M-H]-

362.223774

193.4

[M+NH4]+

381.264873

201.3

[M+K]+

402.194208

188.2

[M+H-H2O]+

346.228310

179.2

[M+HCOO]-

408.229251

198.5

[M+CH3COO]-

422.244901

196.3

[M+Na-2H]-

384.205716

191.3

[M]+

363.23050142

188.7

[M]-

363.23159858

188.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-cyclopropyldesoxyvincaminamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe